6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide

C12H15N5 — CID 64595960

IUPAC6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H15N5/c1-7-8(2)16-17(9(7)3)11-6-4-5-10(15-11)12(13)14/h4-6H,1-3H3,(H3,13,14)
InChIKeyWSGQKXAFWAAYST-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.48
Rot. Bonds2

About 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide

6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide (PubChem CID 64595960) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide
PubChem CID64595960
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H15N5/c1-7-8(2)16-17(9(7)3)11-6-4-5-10(15-11)12(13)14/h4-6H,1-3H3,(H3,13,14)
InChIKeyWSGQKXAFWAAYST-UHFFFAOYSA-N
XLogP1.48
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide (CID 64595960) is 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide?
The InChIKey is WSGQKXAFWAAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-7-8(2)16-17(9(7)3)11-6-4-5-10(15-11)12(13)14/h4-6H,1-3H3,(H3,13,14).
What are the key properties of 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide?
6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 64595960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).